SCHEMBL4804672

SCHEMBL4804672

OC[C@H]1O[C@@H](n2cnc3c(NC4CC4)nc(-c4nnn[nH]4)nc32)[C@@H](O)[C@H]1O

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 4/20 0.62
ADORA1 P30542 3/20 0.62
ADORA2A P29274 2/20 0.62
ADORA2B P29275 2/20 0.62
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
CYP1A2 P05177 1/20 0.62
MAPK1 P28482 1/20 0.62
RXFP1 Q9HBX9 2/20 0.61
TSHR P16473 2/20 0.58
PMP22 Q01453 1/20 0.58
GAA P10253 1/20 0.58
HTT P42858 1/20 0.58
SIGMAR1 Q99720 1/20 0.58
SLC29A1 Q99808 1/20 0.58
TP53 P04637 1/20 0.58
NFKB1 P19838 1/20 0.58
HIF1A Q16665 1/20 0.58

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5129366 0.97 ADORA3 (0.68) ADORA3ADORA1ADORA2AADORA2BMEN1
SCHEMBL5129355 0.97 ADORA3 (0.68) ADORA3ADORA1ADORA2AADORA2BMEN1
SCHEMBL4807108 0.97 ADORA3 (0.68) ADORA3ADORA1ADORA2AADORA2BMEN1
SCHEMBL4797965 0.97 ADORA3 (0.68) ADORA3ADORA1ADORA2AADORA2BMEN1
SCHEMBL4808593 0.97 ADORA3 (0.68) ADORA3ADORA1ADORA2AADORA2BMEN1
SCHEMBL5133241 0.96 ADORA2A (0.67) ADORA3ADORA1ADORA2AADORA2BMEN1
SCHEMBL4803056 0.96 ADORA2A (0.67) ADORA3ADORA1ADORA2AADORA2BMEN1
SCHEMBL5133242 0.96 ADORA2A (0.67) ADORA3ADORA1ADORA2AADORA2BMEN1
SCHEMBL4807496 0.96 ADORA2A (0.67) ADORA3ADORA1ADORA2AADORA2BMEN1
SCHEMBL4803449 0.92 ADORA1 (0.70) ADORA3ADORA1ADORA2AADORA2BMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7381714-B2 A1 adenosine receptor agonists CV THERAPEUTICS, INC. (US) 2008-06-03 US disclosed
EP-1883646-A1 A1 ADENOSINE RECEPTOR AGONISTS CV THERAPEUTICS, INC. (US) 2008-02-06 EP disclosed
US-20060276428-A1 A1 adenosine receptor agonists CV THERAPEUTICS, INC. 2006-12-07 US disclosed
WO-2006125190-A1 A1 ADENOSINE RECEPTOR AGONISTS CV THERAPEUTICS, INC. (US) 2006-11-23 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060276428-A1 A1 adenosine receptor agonists ADORA1, ADORA2A, ADORA3 ADORA3 3/4885ADORA1 1/4885ADORA2A 2/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.